Molecular Dynamics

Molecular Dynamics With Deterministic and Stochastic Numerical Methods - Interdisciplinary Applied Mathematics

Softcover reprint of the original 1st Edition 2015

Paperback (09 Oct 2016)

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Publisher's Synopsis

This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. 

Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping,and the dissipative particle dynamics method. 

Book information

ISBN: 9783319353241
Publisher: Springer International Publishing
Imprint: Springer
Pub date:
Edition: Softcover reprint of the original 1st Edition 2015
Language: English
Number of pages: 443
Weight: 7022g
Height: 235mm
Width: 155mm
Spine width: 23mm